1-(4-chlorophenyl)-3-(4-nitrophenyl)-5-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-chlorophenyl)-3-(4-nitrophenyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-chlorophenyl)-3-(4-nitrophenyl)-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-chlorophenyl)-3-(4-nitrophenyl)-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-chlorophenyl)-3-(4-nitrophenyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(4-chlorophenyl)-3-(4-nitrophenyl)-5-phenyl-pyrazole-4-carboxylic acid Formula: C22H14ClN3O4 MolecularWeight: 419.81726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NN2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NN2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H14ClN3O4/c23-16-8-12-17(13-9-16)25-21(15-4-2-1-3-5-15)19(22(27)28)20(24-25)14-6-10-18(11-7-14)26(29)30/h1-13H,(H,27,28)